N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

C20H33IN4O4 — CID 111827834

IUPACN,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESC/N=C(\NCC1(C(=O)N(C)C)CCCC1)Nc1cc(OC)c(OC)c(OC)c1.I
InChIInChI=1S/C20H32N4O4.HI/c1-21-19(22-13-20(9-7-8-10-20)18(25)24(2)3)23-14-11-15(26-4)17(28-6)16(12-14)27-5;/h11-12H,7-10,13H2,1-6H3,(H2,21,22,23);1H
InChIKeyOYCCWUUIHXTAFS-UHFFFAOYSA-N
MW520.41 g/mol
LogP2.97
Rot. Bonds7

About N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (PubChem CID 111827834) has the molecular formula C20H33IN4O4 and a molecular weight of 520.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
PubChem CID111827834
Molecular FormulaC20H33IN4O4
Molecular Weight520.41 g/mol
Exact Mass520.15
IUPAC NameN,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESC/N=C(\NCC1(C(=O)N(C)C)CCCC1)Nc1cc(OC)c(OC)c(OC)c1.I
InChIInChI=1S/C20H32N4O4.HI/c1-21-19(22-13-20(9-7-8-10-20)18(25)24(2)3)23-14-11-15(26-4)17(28-6)16(12-14)27-5;/h11-12H,7-10,13H2,1-6H3,(H2,21,22,23);1H
InChIKeyOYCCWUUIHXTAFS-UHFFFAOYSA-N
XLogP2.97
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571170
1-[[[N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571572
1-[[[N-[2-(4-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111569898
N,N-dimethyl-1-[[[N'-methyl-N-[(1-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 119161669
1-[[[N-[(6-methoxynaphthalen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571788
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111827832
1-[[[N-[2-(3-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570760
1-[[[N-[(6-methoxynaphthalen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571789
1-[[[N-[3-(4-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571430
1-[[[N'-[(2,3-dimethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570098
N-[2-[[N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111570702
N,N-dimethyl-1-[[(N'-methyl-N-prop-2-ynylcarbamimidoyl)amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570750

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (CID 111827834) is N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is C/N=C(\NCC1(C(=O)N(C)C)CCCC1)Nc1cc(OC)c(OC)c(OC)c1.I.
What is the InChIKey of N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The InChIKey is OYCCWUUIHXTAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4.HI/c1-21-19(22-13-20(9-7-8-10-20)18(25)24(2)3)23-14-11-15(26-4)17(28-6)16(12-14)27-5;/h11-12H,7-10,13H2,1-6H3,(H2,21,22,23);1H.
What are the key properties of N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide has a molecular weight of 520.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is sourced from PubChem (CID 111827834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).